USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 184 hydrogens (0 hets) HEADER DNA 01-AUG-90 1D18 TITLE SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA OCTAMERS TITLE 2 USING NUCLEAR MAGNETIC RESONANCE, RESTRAINED MOLECULAR TITLE 3 DYNAMICS AND NOE-BASED REFINEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS DNA, NMR, DOUBLE HELIX EXPDTA SOLUTION NMR AUTHOR J.D.BALEJA,B.D.SYKES REVDAT 5 24-FEB-09 1D18 1 VERSN REVDAT 4 01-APR-03 1D18 1 JRNL REVDAT 3 15-OCT-94 1D18 1 COMPND EXPDTA REVDAT 2 15-JAN-93 1D18 1 HEADER REVDAT 1 15-JUL-91 1D18 0 JRNL AUTH J.D.BALEJA,M.W.GERMANN,J.H.VAN DE SANDE,B.D.SYKES JRNL TITL SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA JRNL TITL 2 OCTAMERS USING NUCLEAR MAGNETIC RESONANCE, JRNL TITL 3 RESTRAINED MOLECULAR DYNAMICS AND NOE-BASED JRNL TITL 4 REFINEMENT. JRNL REF J.MOL.BIOL. V. 215 411 1990 JRNL REFN ISSN 0022-2836 JRNL PMID 2231713 JRNL DOI 10.1016/S0022-2836(05)80361-4 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.D.BALEJA,J.MOULT,B.D.SYKES REMARK 1 TITL DISTANCE MEASUREMENT AND STRUCTURE REFINEMENT WITH REMARK 1 TITL 2 NOE DATA REMARK 1 REF J.MAGN.RESON. V. 87 375 1990 REMARK 1 REFN ISSN 0022-2364 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GROMOS REMARK 3 AUTHORS : DE VLIEG ET AL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS REFINED AGAINST REMARK 3 PRIMARY NOE DATA. THE R VALUE IS 0.23 OVER ALL OBSERVED, REMARK 3 QUANTIFIED, NOE CROSSPEAK INTENSITIES. THE NOE-BASED PROCEDURE REMARK 3 USED TO REFINE THESE STRUCTURES INCLUDED CORRELATION TIME REMARK 3 ADJUSTMENT FACTORS, WHICH ARE APPROXIMATELY RELATED TO THE REMARK 3 INVERSE OF THE TEMPERATURE FACTORS ASSOCIATED WITH X-RAY REMARK 3 CRYSTALLOGRAPHY. THESE VALUES ARE INCLUDED IN THE COLUMN REMARK 3 NORMALLY USED FOR TEMPERATURE FACTORS. VALUES OF 0.0 APPEAR REMARK 3 FOR NON-HYDROGEN ATOMS, WHICH WERE NOT USED IN THE NMR REMARK 3 CALCULATIONS. FURTHER DETAILS ARE GIVEN IN REFERENCE 1. REMARK 4 REMARK 4 1D18 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : ENERGY MINIMIZATION, REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DC A 1 N1 DC A 1 C6 0.040 REMARK 500 DA A 2 C5 DA A 2 N7 -0.069 REMARK 500 DA A 2 N9 DA A 2 C4 -0.042 REMARK 500 DT A 3 C5 DT A 3 C6 0.043 REMARK 500 DG A 4 C5 DG A 4 N7 -0.062 REMARK 500 DC A 5 N1 DC A 5 C6 0.038 REMARK 500 DA A 6 C5 DA A 6 N7 -0.063 REMARK 500 DA A 6 N9 DA A 6 C4 -0.048 REMARK 500 DT A 7 C4 DT A 7 C5 -0.057 REMARK 500 DT A 7 C5 DT A 7 C6 0.052 REMARK 500 DG A 8 C5 DG A 8 N7 -0.066 REMARK 500 DG A 8 N9 DG A 8 C4 -0.054 REMARK 500 DC B 9 N1 DC B 9 C6 0.039 REMARK 500 DA B 10 C5 DA B 10 N7 -0.062 REMARK 500 DA B 10 N9 DA B 10 C4 -0.051 REMARK 500 DT B 11 C5 DT B 11 C6 0.047 REMARK 500 DT B 11 C5 DT B 11 C7 0.036 REMARK 500 DG B 12 C5 DG B 12 N7 -0.063 REMARK 500 DG B 12 C8 DG B 12 N9 -0.045 REMARK 500 DA B 14 C5 DA B 14 N7 -0.059 REMARK 500 DA B 14 N9 DA B 14 C4 -0.044 REMARK 500 DT B 15 C4 DT B 15 C5 -0.060 REMARK 500 DT B 15 C5 DT B 15 C6 0.053 REMARK 500 DG B 16 C5 DG B 16 N7 -0.056 REMARK 500 DG B 16 N9 DG B 16 C4 -0.053 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA A 2 N1 - C2 - N3 ANGL. DEV. = -7.0 DEGREES REMARK 500 DA A 2 C2 - N3 - C4 ANGL. DEV. = 8.8 DEGREES REMARK 500 DA A 2 N3 - C4 - C5 ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 2 C5 - N7 - C8 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 2 N7 - C8 - N9 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA A 2 N3 - C4 - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 DT A 3 N1 - C2 - N3 ANGL. DEV. = 5.1 DEGREES REMARK 500 DT A 3 C2 - N3 - C4 ANGL. DEV. = -5.8 DEGREES REMARK 500 DT A 3 N3 - C4 - C5 ANGL. DEV. = 4.1 DEGREES REMARK 500 DT A 3 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -4.6 DEGREES REMARK 500 DG A 4 C6 - N1 - C2 ANGL. DEV. = -4.5 DEGREES REMARK 500 DG A 4 N1 - C2 - N3 ANGL. DEV. = -4.0 DEGREES REMARK 500 DG A 4 C2 - N3 - C4 ANGL. DEV. = 9.0 DEGREES REMARK 500 DG A 4 N3 - C4 - C5 ANGL. DEV. = -7.2 DEGREES REMARK 500 DG A 4 C5 - C6 - N1 ANGL. DEV. = 6.5 DEGREES REMARK 500 DG A 4 C4 - C5 - N7 ANGL. DEV. = -2.5 DEGREES REMARK 500 DG A 4 N3 - C4 - N9 ANGL. DEV. = 5.7 DEGREES REMARK 500 DG A 4 C5 - C6 - O6 ANGL. DEV. = -8.2 DEGREES REMARK 500 DC A 5 C2 - N3 - C4 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA A 6 N1 - C2 - N3 ANGL. DEV. = -6.6 DEGREES REMARK 500 DA A 6 C2 - N3 - C4 ANGL. DEV. = 9.3 DEGREES REMARK 500 DA A 6 N3 - C4 - C5 ANGL. DEV. = -7.6 DEGREES REMARK 500 DA A 6 C4 - C5 - N7 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA A 6 C5 - N7 - C8 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA A 6 N7 - C8 - N9 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA A 6 N3 - C4 - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 DT A 7 C1' - O4' - C4' ANGL. DEV. = -6.7 DEGREES REMARK 500 DT A 7 N1 - C2 - N3 ANGL. DEV. = 4.8 DEGREES REMARK 500 DT A 7 C2 - N3 - C4 ANGL. DEV. = -6.0 DEGREES REMARK 500 DT A 7 N3 - C4 - C5 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT A 7 N3 - C2 - O2 ANGL. DEV. = -4.3 DEGREES REMARK 500 DT A 7 C6 - C5 - C7 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG A 8 C6 - N1 - C2 ANGL. DEV. = -5.0 DEGREES REMARK 500 DG A 8 N1 - C2 - N3 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG A 8 C2 - N3 - C4 ANGL. DEV. = 9.1 DEGREES REMARK 500 DG A 8 N3 - C4 - C5 ANGL. DEV. = -7.0 DEGREES REMARK 500 DG A 8 C5 - C6 - N1 ANGL. DEV. = 6.7 DEGREES REMARK 500 DG A 8 C4 - C5 - N7 ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 8 N7 - C8 - N9 ANGL. DEV. = -3.6 DEGREES REMARK 500 DG A 8 N3 - C4 - N9 ANGL. DEV. = 5.5 DEGREES REMARK 500 DG A 8 C5 - C6 - O6 ANGL. DEV. = -8.1 DEGREES REMARK 500 DA B 10 N1 - C2 - N3 ANGL. DEV. = -6.9 DEGREES REMARK 500 DA B 10 C2 - N3 - C4 ANGL. DEV. = 9.3 DEGREES REMARK 500 DA B 10 N3 - C4 - C5 ANGL. DEV. = -7.3 DEGREES REMARK 500 DA B 10 N7 - C8 - N9 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA B 10 N3 - C4 - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 DT B 11 N1 - C2 - N3 ANGL. DEV. = 4.7 DEGREES REMARK 500 DT B 11 C2 - N3 - C4 ANGL. DEV. = -5.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 83 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DC A 1 0.07 SIDE_CHAIN REMARK 500 DA A 2 0.08 SIDE_CHAIN REMARK 500 DC A 5 0.10 SIDE_CHAIN REMARK 500 DA A 6 0.14 SIDE_CHAIN REMARK 500 DC B 9 0.09 SIDE_CHAIN REMARK 500 DA B 10 0.06 SIDE_CHAIN REMARK 500 DG B 12 0.07 SIDE_CHAIN REMARK 500 DC B 13 0.09 SIDE_CHAIN REMARK 500 DA B 14 0.12 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D19 RELATED DB: PDB DBREF 1D18 A 1 8 PDB 1D18 1D18 1 8 DBREF 1D18 B 9 16 PDB 1D18 1D18 9 16 SEQRES 1 A 8 DC DA DT DG DC DA DT DG SEQRES 1 B 8 DC DA DT DG DC DA DT DG CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 26:sc= 0.0222 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.122 (180deg=-0.122) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00935 (180deg=-0.00935) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 35:sc= 0.00589 USER MOD Single : B 11 DT C7 :methyl 150:sc= -0.244 (180deg=-0.244) USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.350 6.970 12.750 1.00 0.00 O ATOM 2 C5' DC A 1 5.760 6.860 12.990 1.00 0.00 C ATOM 3 C4' DC A 1 6.390 5.860 12.030 1.00 0.00 C ATOM 4 O4' DC A 1 5.720 4.590 12.140 1.00 0.00 O ATOM 5 C3' DC A 1 6.240 6.330 10.590 1.00 0.00 C ATOM 6 O3' DC A 1 7.520 6.800 10.120 1.00 0.00 O ATOM 7 C2' DC A 1 5.770 5.100 9.830 1.00 0.00 C ATOM 8 C1' DC A 1 5.840 3.970 10.850 1.00 0.00 C ATOM 9 N1 DC A 1 4.710 3.020 10.700 1.00 0.00 N ATOM 10 C2 DC A 1 4.980 1.650 10.610 1.00 0.00 C ATOM 11 O2 DC A 1 6.120 1.250 10.370 1.00 0.00 O ATOM 12 N3 DC A 1 3.970 0.770 10.670 1.00 0.00 N ATOM 13 C4 DC A 1 2.700 1.140 10.800 1.00 0.00 C ATOM 14 N4 DC A 1 1.740 0.220 10.850 1.00 0.00 N ATOM 15 C5 DC A 1 2.360 2.490 10.870 1.00 0.00 C ATOM 16 C6 DC A 1 3.370 3.430 10.830 1.00 0.00 C ATOM 0 H5' DC A 1 5.936 6.545 14.019 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.232 7.835 12.870 1.00 0.00 H new ATOM 0 H4' DC A 1 7.445 5.770 12.288 1.00 0.00 H new ATOM 0 H3' DC A 1 5.536 7.153 10.465 1.00 0.00 H new ATOM 0 H2' DC A 1 4.756 5.231 9.452 1.00 0.00 H new ATOM 0 H2'' DC A 1 6.408 4.898 8.969 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.022 6.142 12.341 1.00 0.00 H new ATOM 0 H1' DC A 1 6.768 3.415 10.717 1.00 0.00 H new ATOM 0 H41 DC A 1 0.766 0.505 10.950 1.00 0.00 H new ATOM 0 H42 DC A 1 1.979 -0.770 10.789 1.00 0.00 H new ATOM 0 H5 DC A 1 1.327 2.794 10.954 1.00 0.00 H new ATOM 0 H6 DC A 1 3.132 4.481 10.899 1.00 0.00 H new ATOM 29 P DA A 2 7.770 7.340 8.620 1.00 0.00 P ATOM 30 OP1 DA A 2 8.900 8.290 8.650 1.00 0.00 O ATOM 31 OP2 DA A 2 6.490 7.770 8.020 1.00 0.00 O ATOM 32 O5' DA A 2 8.230 5.980 7.890 1.00 0.00 O ATOM 33 C5' DA A 2 9.460 5.340 8.290 1.00 0.00 C ATOM 34 C4' DA A 2 9.660 4.030 7.550 1.00 0.00 C ATOM 35 O4' DA A 2 8.550 3.150 7.830 1.00 0.00 O ATOM 36 C3' DA A 2 9.710 4.260 6.050 1.00 0.00 C ATOM 37 O3' DA A 2 10.960 3.760 5.530 1.00 0.00 O ATOM 38 C2' DA A 2 8.510 3.510 5.510 1.00 0.00 C ATOM 39 C1' DA A 2 8.210 2.500 6.590 1.00 0.00 C ATOM 40 N9 DA A 2 6.770 2.150 6.660 1.00 0.00 N ATOM 41 C8 DA A 2 5.750 2.990 6.880 1.00 0.00 C ATOM 42 N7 DA A 2 4.640 2.300 7.140 1.00 0.00 N ATOM 43 C5 DA A 2 4.950 1.020 7.060 1.00 0.00 C ATOM 44 C6 DA A 2 4.210 -0.150 7.210 1.00 0.00 C ATOM 45 N6 DA A 2 2.940 -0.090 7.610 1.00 0.00 N ATOM 46 N1 DA A 2 4.810 -1.320 7.020 1.00 0.00 N ATOM 47 C2 DA A 2 6.090 -1.380 6.700 1.00 0.00 C ATOM 48 N3 DA A 2 6.840 -0.290 6.560 1.00 0.00 N ATOM 49 C4 DA A 2 6.290 0.910 6.740 1.00 0.00 C ATOM 0 H5' DA A 2 9.445 5.156 9.364 1.00 0.00 H new ATOM 0 H5'' DA A 2 10.301 6.005 8.092 1.00 0.00 H new ATOM 0 H4' DA A 2 10.601 3.591 7.882 1.00 0.00 H new ATOM 0 H3' DA A 2 9.667 5.311 5.763 1.00 0.00 H new ATOM 0 H2' DA A 2 7.665 4.176 5.338 1.00 0.00 H new ATOM 0 H2'' DA A 2 8.734 3.026 4.559 1.00 0.00 H new ATOM 0 H1' DA A 2 8.765 1.583 6.391 1.00 0.00 H new ATOM 0 H8 DA A 2 5.817 4.068 6.851 1.00 0.00 H new ATOM 0 H61 DA A 2 2.399 -0.948 7.720 1.00 0.00 H new ATOM 0 H62 DA A 2 2.509 0.814 7.807 1.00 0.00 H new ATOM 0 H2 DA A 2 6.544 -2.348 6.547 1.00 0.00 H new ATOM 61 P DT A 3 11.480 4.160 4.060 1.00 0.00 P ATOM 62 OP1 DT A 3 12.960 4.010 4.040 1.00 0.00 O ATOM 63 OP2 DT A 3 10.890 5.450 3.660 1.00 0.00 O ATOM 64 O5' DT A 3 10.810 3.010 3.170 1.00 0.00 O ATOM 65 C5' DT A 3 11.310 1.660 3.220 1.00 0.00 C ATOM 66 C4' DT A 3 10.320 0.710 2.570 1.00 0.00 C ATOM 67 O4' DT A 3 9.040 0.760 3.230 1.00 0.00 O ATOM 68 C3' DT A 3 10.100 1.060 1.110 1.00 0.00 C ATOM 69 O3' DT A 3 10.720 0.030 0.310 1.00 0.00 O ATOM 70 C2' DT A 3 8.590 1.110 0.960 1.00 0.00 C ATOM 71 C1' DT A 3 8.090 0.420 2.210 1.00 0.00 C ATOM 72 N1 DT A 3 6.740 0.880 2.630 1.00 0.00 N ATOM 73 C2 DT A 3 5.740 -0.050 2.930 1.00 0.00 C ATOM 74 O2 DT A 3 5.880 -1.250 2.690 1.00 0.00 O ATOM 75 N3 DT A 3 4.520 0.390 3.450 1.00 0.00 N ATOM 76 C4 DT A 3 4.270 1.740 3.670 1.00 0.00 C ATOM 77 O4 DT A 3 3.180 2.080 4.130 1.00 0.00 O ATOM 78 C5 DT A 3 5.260 2.680 3.360 1.00 0.00 C ATOM 79 C7 DT A 3 5.090 4.170 3.670 1.00 0.00 C ATOM 80 C6 DT A 3 6.470 2.250 2.850 1.00 0.00 C ATOM 0 H5' DT A 3 11.481 1.366 4.256 1.00 0.00 H new ATOM 0 H5'' DT A 3 12.271 1.601 2.709 1.00 0.00 H new ATOM 0 H4' DT A 3 10.747 -0.289 2.655 1.00 0.00 H new ATOM 0 H3' DT A 3 10.536 2.006 0.789 1.00 0.00 H new ATOM 0 H2' DT A 3 8.227 2.136 0.895 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.259 0.596 0.058 1.00 0.00 H new ATOM 0 H1' DT A 3 8.000 -0.651 2.031 1.00 0.00 H new ATOM 0 H3 DT A 3 3.797 -0.294 3.673 1.00 0.00 H new ATOM 0 H71 DT A 3 6.066 4.616 3.861 1.00 0.00 H new ATOM 0 H72 DT A 3 4.624 4.668 2.820 1.00 0.00 H new ATOM 0 H73 DT A 3 4.459 4.289 4.551 1.00 0.00 H new ATOM 0 H6 DT A 3 7.230 2.980 2.613 1.00 0.00 H new ATOM 93 P DG A 4 10.600 -0.080 -1.300 1.00 0.00 P ATOM 94 OP1 DG A 4 11.790 -0.800 -1.810 1.00 0.00 O ATOM 95 OP2 DG A 4 10.250 1.240 -1.870 1.00 0.00 O ATOM 96 O5' DG A 4 9.310 -1.040 -1.420 1.00 0.00 O ATOM 97 C5' DG A 4 9.370 -2.370 -0.880 1.00 0.00 C ATOM 98 C4' DG A 4 8.030 -3.080 -0.960 1.00 0.00 C ATOM 99 O4' DG A 4 7.030 -2.310 -0.260 1.00 0.00 O ATOM 100 C3' DG A 4 7.560 -3.240 -2.400 1.00 0.00 C ATOM 101 O3' DG A 4 7.230 -4.620 -2.610 1.00 0.00 O ATOM 102 C2' DG A 4 6.380 -2.300 -2.500 1.00 0.00 C ATOM 103 C1' DG A 4 5.850 -2.310 -1.080 1.00 0.00 C ATOM 104 N9 DG A 4 5.040 -1.120 -0.750 1.00 0.00 N ATOM 105 C8 DG A 4 5.390 0.170 -0.840 1.00 0.00 C ATOM 106 N7 DG A 4 4.460 0.940 -0.280 1.00 0.00 N ATOM 107 C5 DG A 4 3.490 0.140 0.140 1.00 0.00 C ATOM 108 C6 DG A 4 2.260 0.390 0.730 1.00 0.00 C ATOM 109 O6 DG A 4 1.950 1.530 1.060 1.00 0.00 O ATOM 110 N1 DG A 4 1.420 -0.690 0.970 1.00 0.00 N ATOM 111 C2 DG A 4 1.820 -1.980 0.650 1.00 0.00 C ATOM 112 N2 DG A 4 1.000 -3.000 0.820 1.00 0.00 N ATOM 113 N3 DG A 4 3.030 -2.190 0.110 1.00 0.00 N ATOM 114 C4 DG A 4 3.850 -1.170 -0.150 1.00 0.00 C ATOM 0 H5' DG A 4 9.694 -2.324 0.160 1.00 0.00 H new ATOM 0 H5'' DG A 4 10.119 -2.948 -1.422 1.00 0.00 H new ATOM 0 H4' DG A 4 8.161 -4.065 -0.512 1.00 0.00 H new ATOM 0 H3' DG A 4 8.294 -2.994 -3.167 1.00 0.00 H new ATOM 0 H2' DG A 4 6.680 -1.301 -2.817 1.00 0.00 H new ATOM 0 H2'' DG A 4 5.637 -2.652 -3.216 1.00 0.00 H new ATOM 0 H1' DG A 4 5.193 -3.167 -0.929 1.00 0.00 H new ATOM 0 H8 DG A 4 6.297 0.533 -1.301 1.00 0.00 H new ATOM 0 H1 DG A 4 0.501 -0.534 1.385 1.00 0.00 H new ATOM 0 H21 DG A 4 1.304 -3.944 0.582 1.00 0.00 H new ATOM 0 H22 DG A 4 0.062 -2.844 1.190 1.00 0.00 H new ATOM 126 P DC A 5 6.550 -5.210 -3.950 1.00 0.00 P ATOM 127 OP1 DC A 5 7.000 -6.610 -4.120 1.00 0.00 O ATOM 128 OP2 DC A 5 6.720 -4.260 -5.070 1.00 0.00 O ATOM 129 O5' DC A 5 5.000 -5.210 -3.520 1.00 0.00 O ATOM 130 C5' DC A 5 4.540 -6.060 -2.450 1.00 0.00 C ATOM 131 C4' DC A 5 3.040 -5.960 -2.250 1.00 0.00 C ATOM 132 O4' DC A 5 2.680 -4.610 -1.920 1.00 0.00 O ATOM 133 C3' DC A 5 2.300 -6.330 -3.520 1.00 0.00 C ATOM 134 O3' DC A 5 1.340 -7.360 -3.220 1.00 0.00 O ATOM 135 C2' DC A 5 1.670 -5.030 -3.990 1.00 0.00 C ATOM 136 C1' DC A 5 1.520 -4.260 -2.690 1.00 0.00 C ATOM 137 N1 DC A 5 1.540 -2.790 -2.920 1.00 0.00 N ATOM 138 C2 DC A 5 0.560 -1.970 -2.360 1.00 0.00 C ATOM 139 O2 DC A 5 -0.500 -2.460 -1.940 1.00 0.00 O ATOM 140 N3 DC A 5 0.690 -0.650 -2.410 1.00 0.00 N ATOM 141 C4 DC A 5 1.730 -0.040 -3.000 1.00 0.00 C ATOM 142 N4 DC A 5 1.860 1.270 -2.910 1.00 0.00 N ATOM 143 C5 DC A 5 2.710 -0.800 -3.620 1.00 0.00 C ATOM 144 C6 DC A 5 2.620 -2.180 -3.580 1.00 0.00 C ATOM 0 H5' DC A 5 5.048 -5.786 -1.525 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.809 -7.094 -2.667 1.00 0.00 H new ATOM 0 H4' DC A 5 2.768 -6.645 -1.446 1.00 0.00 H new ATOM 0 H3' DC A 5 2.933 -6.740 -4.307 1.00 0.00 H new ATOM 0 H2' DC A 5 2.304 -4.505 -4.704 1.00 0.00 H new ATOM 0 H2'' DC A 5 0.710 -5.196 -4.479 1.00 0.00 H new ATOM 0 H1' DC A 5 0.576 -4.503 -2.203 1.00 0.00 H new ATOM 0 H41 DC A 5 2.649 1.736 -3.357 1.00 0.00 H new ATOM 0 H42 DC A 5 1.171 1.816 -2.393 1.00 0.00 H new ATOM 0 H5 DC A 5 3.534 -0.321 -4.128 1.00 0.00 H new ATOM 0 H6 DC A 5 3.377 -2.786 -4.055 1.00 0.00 H new ATOM 156 P DA A 6 0.220 -7.900 -4.260 1.00 0.00 P ATOM 157 OP1 DA A 6 -0.150 -9.270 -3.860 1.00 0.00 O ATOM 158 OP2 DA A 6 0.670 -7.650 -5.650 1.00 0.00 O ATOM 159 O5' DA A 6 -1.000 -6.900 -3.920 1.00 0.00 O ATOM 160 C5' DA A 6 -1.620 -6.940 -2.630 1.00 0.00 C ATOM 161 C4' DA A 6 -2.850 -6.060 -2.540 1.00 0.00 C ATOM 162 O4' DA A 6 -2.500 -4.680 -2.770 1.00 0.00 O ATOM 163 C3' DA A 6 -3.880 -6.440 -3.590 1.00 0.00 C ATOM 164 O3' DA A 6 -5.170 -6.560 -2.970 1.00 0.00 O ATOM 165 C2' DA A 6 -3.820 -5.300 -4.600 1.00 0.00 C ATOM 166 C1' DA A 6 -3.450 -4.130 -3.710 1.00 0.00 C ATOM 167 N9 DA A 6 -2.800 -3.020 -4.440 1.00 0.00 N ATOM 168 C8 DA A 6 -1.620 -3.070 -5.060 1.00 0.00 C ATOM 169 N7 DA A 6 -1.130 -1.850 -5.220 1.00 0.00 N ATOM 170 C5 DA A 6 -2.020 -1.000 -4.730 1.00 0.00 C ATOM 171 C6 DA A 6 -2.070 0.380 -4.650 1.00 0.00 C ATOM 172 N6 DA A 6 -0.990 1.100 -4.910 1.00 0.00 N ATOM 173 N1 DA A 6 -3.170 0.960 -4.160 1.00 0.00 N ATOM 174 C2 DA A 6 -4.190 0.220 -3.750 1.00 0.00 C ATOM 175 N3 DA A 6 -4.170 -1.100 -3.780 1.00 0.00 N ATOM 176 C4 DA A 6 -3.100 -1.740 -4.270 1.00 0.00 C ATOM 0 H5' DA A 6 -0.899 -6.626 -1.876 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.897 -7.968 -2.397 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.263 -6.198 -1.541 1.00 0.00 H new ATOM 0 H3' DA A 6 -3.690 -7.399 -4.073 1.00 0.00 H new ATOM 0 H2' DA A 6 -3.075 -5.477 -5.376 1.00 0.00 H new ATOM 0 H2'' DA A 6 -4.774 -5.147 -5.104 1.00 0.00 H new ATOM 0 H1' DA A 6 -4.347 -3.707 -3.257 1.00 0.00 H new ATOM 0 H8 DA A 6 -1.133 -3.977 -5.386 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.029 2.118 -4.850 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.119 0.637 -5.170 1.00 0.00 H new ATOM 0 H2 DA A 6 -5.073 0.717 -3.376 1.00 0.00 H new ATOM 188 P DT A 7 -6.430 -7.210 -3.720 1.00 0.00 P ATOM 189 OP1 DT A 7 -7.380 -7.710 -2.690 1.00 0.00 O ATOM 190 OP2 DT A 7 -5.960 -8.150 -4.760 1.00 0.00 O ATOM 191 O5' DT A 7 -7.050 -5.920 -4.450 1.00 0.00 O ATOM 192 C5' DT A 7 -7.840 -4.970 -3.720 1.00 0.00 C ATOM 193 C4' DT A 7 -8.060 -3.720 -4.550 1.00 0.00 C ATOM 194 O4' DT A 7 -6.810 -3.080 -4.900 1.00 0.00 O ATOM 195 C3' DT A 7 -8.770 -4.040 -5.850 1.00 0.00 C ATOM 196 O3' DT A 7 -10.150 -3.680 -5.720 1.00 0.00 O ATOM 197 C2' DT A 7 -8.030 -3.200 -6.880 1.00 0.00 C ATOM 198 C1' DT A 7 -7.150 -2.290 -6.050 1.00 0.00 C ATOM 199 N1 DT A 7 -5.910 -1.860 -6.740 1.00 0.00 N ATOM 200 C2 DT A 7 -5.600 -0.500 -6.800 1.00 0.00 C ATOM 201 O2 DT A 7 -6.400 0.370 -6.480 1.00 0.00 O ATOM 202 N3 DT A 7 -4.370 -0.100 -7.320 1.00 0.00 N ATOM 203 C4 DT A 7 -3.460 -1.030 -7.820 1.00 0.00 C ATOM 204 O4 DT A 7 -2.360 -0.640 -8.200 1.00 0.00 O ATOM 205 C5 DT A 7 -3.780 -2.380 -7.800 1.00 0.00 C ATOM 206 C7 DT A 7 -2.900 -3.440 -8.460 1.00 0.00 C ATOM 207 C6 DT A 7 -4.990 -2.790 -7.250 1.00 0.00 C ATOM 0 H5' DT A 7 -7.340 -4.712 -2.787 1.00 0.00 H new ATOM 0 H5'' DT A 7 -8.800 -5.413 -3.455 1.00 0.00 H new ATOM 0 H4' DT A 7 -8.665 -3.056 -3.932 1.00 0.00 H new ATOM 0 H3' DT A 7 -8.761 -5.093 -6.132 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.439 -3.822 -7.552 1.00 0.00 H new ATOM 0 H2'' DT A 7 -8.721 -2.629 -7.500 1.00 0.00 H new ATOM 0 H1' DT A 7 -7.678 -1.364 -5.821 1.00 0.00 H new ATOM 0 H3 DT A 7 -4.131 0.892 -7.335 1.00 0.00 H new ATOM 0 H71 DT A 7 -2.997 -4.382 -7.919 1.00 0.00 H new ATOM 0 H72 DT A 7 -3.214 -3.581 -9.494 1.00 0.00 H new ATOM 0 H73 DT A 7 -1.860 -3.115 -8.438 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.226 -3.843 -7.215 1.00 0.00 H new ATOM 220 P DG A 8 -11.240 -3.810 -6.910 1.00 0.00 P ATOM 221 OP1 DG A 8 -12.590 -3.870 -6.290 1.00 0.00 O ATOM 222 OP2 DG A 8 -10.830 -4.880 -7.840 1.00 0.00 O ATOM 223 O5' DG A 8 -11.050 -2.390 -7.650 1.00 0.00 O ATOM 224 C5' DG A 8 -11.390 -1.170 -6.970 1.00 0.00 C ATOM 225 C4' DG A 8 -10.920 0.030 -7.760 1.00 0.00 C ATOM 226 O4' DG A 8 -9.490 -0.050 -7.930 1.00 0.00 O ATOM 227 C3' DG A 8 -11.530 0.080 -9.150 1.00 0.00 C ATOM 228 O3' DG A 8 -12.120 1.350 -9.400 1.00 0.00 O ATOM 229 C2' DG A 8 -10.370 -0.140 -10.090 1.00 0.00 C ATOM 230 C1' DG A 8 -9.240 0.430 -9.260 1.00 0.00 C ATOM 231 N9 DG A 8 -7.890 0.020 -9.720 1.00 0.00 N ATOM 232 C8 DG A 8 -7.410 -1.210 -9.910 1.00 0.00 C ATOM 233 N7 DG A 8 -6.120 -1.140 -10.230 1.00 0.00 N ATOM 234 C5 DG A 8 -5.790 0.140 -10.250 1.00 0.00 C ATOM 235 C6 DG A 8 -4.600 0.800 -10.540 1.00 0.00 C ATOM 236 O6 DG A 8 -3.600 0.170 -10.840 1.00 0.00 O ATOM 237 N1 DG A 8 -4.590 2.190 -10.490 1.00 0.00 N ATOM 238 C2 DG A 8 -5.760 2.890 -10.160 1.00 0.00 C ATOM 239 N2 DG A 8 -5.760 4.220 -10.120 1.00 0.00 N ATOM 240 N3 DG A 8 -6.880 2.220 -9.890 1.00 0.00 N ATOM 241 C4 DG A 8 -6.910 0.880 -9.930 1.00 0.00 C ATOM 0 H5' DG A 8 -10.935 -1.161 -5.980 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.469 -1.117 -6.825 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.223 0.918 -7.205 1.00 0.00 H new ATOM 0 H3' DG A 8 -12.317 -0.664 -9.271 1.00 0.00 H new ATOM 0 H2' DG A 8 -10.221 -1.193 -10.327 1.00 0.00 H new ATOM 0 H2'' DG A 8 -10.497 0.385 -11.037 1.00 0.00 H new ATOM 0 HO3' DG A 8 -12.505 1.360 -10.301 1.00 0.00 H new ATOM 0 H1' DG A 8 -9.228 1.517 -9.335 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.980 -2.122 -9.818 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.731 2.701 -10.694 1.00 0.00 H new ATOM 0 H21 DG A 8 -6.614 4.723 -9.879 1.00 0.00 H new ATOM 0 H22 DG A 8 -4.906 4.736 -10.330 1.00 0.00 H new TER 254 DG A 8 ATOM 255 O5' DC B 9 2.460 7.960 -12.750 1.00 0.00 O ATOM 256 C5' DC B 9 1.380 8.860 -13.020 1.00 0.00 C ATOM 257 C4' DC B 9 0.230 8.620 -12.040 1.00 0.00 C ATOM 258 O4' DC B 9 -0.230 7.260 -12.130 1.00 0.00 O ATOM 259 C3' DC B 9 0.660 8.850 -10.600 1.00 0.00 C ATOM 260 O3' DC B 9 0.160 10.120 -10.170 1.00 0.00 O ATOM 261 C2' DC B 9 0.040 7.700 -9.830 1.00 0.00 C ATOM 262 C1' DC B 9 -0.820 6.980 -10.850 1.00 0.00 C ATOM 263 N1 DC B 9 -0.810 5.500 -10.650 1.00 0.00 N ATOM 264 C2 DC B 9 -2.020 4.810 -10.550 1.00 0.00 C ATOM 265 O2 DC B 9 -3.060 5.410 -10.290 1.00 0.00 O ATOM 266 N3 DC B 9 -2.030 3.480 -10.610 1.00 0.00 N ATOM 267 C4 DC B 9 -0.910 2.750 -10.730 1.00 0.00 C ATOM 268 N4 DC B 9 -0.980 1.430 -10.830 1.00 0.00 N ATOM 269 C5 DC B 9 0.330 3.380 -10.800 1.00 0.00 C ATOM 270 C6 DC B 9 0.380 4.760 -10.760 1.00 0.00 C ATOM 0 H5' DC B 9 1.030 8.722 -14.043 1.00 0.00 H new ATOM 0 H5'' DC B 9 1.727 9.890 -12.938 1.00 0.00 H new ATOM 0 H4' DC B 9 -0.558 9.323 -12.309 1.00 0.00 H new ATOM 0 H3' DC B 9 1.740 8.873 -10.456 1.00 0.00 H new ATOM 0 H2' DC B 9 0.804 7.040 -9.419 1.00 0.00 H new ATOM 0 H2'' DC B 9 -0.556 8.060 -8.991 1.00 0.00 H new ATOM 0 HO5' DC B 9 2.101 7.098 -12.452 1.00 0.00 H new ATOM 0 H1' DC B 9 -1.853 7.317 -10.762 1.00 0.00 H new ATOM 0 H41 DC B 9 -0.126 0.879 -10.921 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.888 0.965 -10.816 1.00 0.00 H new ATOM 0 H5 DC B 9 1.237 2.800 -10.884 1.00 0.00 H new ATOM 0 H6 DC B 9 1.331 5.269 -10.813 1.00 0.00 H new ATOM 283 P DA B 10 0.380 10.710 -8.680 1.00 0.00 P ATOM 284 OP1 DA B 10 0.330 12.190 -8.750 1.00 0.00 O ATOM 285 OP2 DA B 10 1.560 10.070 -8.060 1.00 0.00 O ATOM 286 O5' DA B 10 -0.940 10.160 -7.930 1.00 0.00 O ATOM 287 C5' DA B 10 -2.230 10.640 -8.320 1.00 0.00 C ATOM 288 C4' DA B 10 -3.330 9.930 -7.550 1.00 0.00 C ATOM 289 O4' DA B 10 -3.270 8.520 -7.820 1.00 0.00 O ATOM 290 C3' DA B 10 -3.170 10.130 -6.050 1.00 0.00 C ATOM 291 O3' DA B 10 -4.350 10.750 -5.510 1.00 0.00 O ATOM 292 C2' DA B 10 -2.930 8.740 -5.510 1.00 0.00 C ATOM 293 C1' DA B 10 -3.510 7.840 -6.580 1.00 0.00 C ATOM 294 N9 DA B 10 -2.820 6.520 -6.660 1.00 0.00 N ATOM 295 C8 DA B 10 -1.520 6.320 -6.870 1.00 0.00 C ATOM 296 N7 DA B 10 -1.290 5.030 -7.130 1.00 0.00 N ATOM 297 C5 DA B 10 -2.460 4.410 -7.060 1.00 0.00 C ATOM 298 C6 DA B 10 -2.840 3.090 -7.220 1.00 0.00 C ATOM 299 N6 DA B 10 -1.940 2.170 -7.540 1.00 0.00 N ATOM 300 N1 DA B 10 -4.130 2.770 -7.050 1.00 0.00 N ATOM 301 C2 DA B 10 -5.020 3.690 -6.750 1.00 0.00 C ATOM 302 N3 DA B 10 -4.700 4.960 -6.600 1.00 0.00 N ATOM 303 C4 DA B 10 -3.430 5.350 -6.750 1.00 0.00 C ATOM 0 H5' DA B 10 -2.372 10.485 -9.390 1.00 0.00 H new ATOM 0 H5'' DA B 10 -2.292 11.714 -8.142 1.00 0.00 H new ATOM 0 H4' DA B 10 -4.284 10.349 -7.869 1.00 0.00 H new ATOM 0 H3' DA B 10 -2.349 10.794 -5.779 1.00 0.00 H new ATOM 0 H2' DA B 10 -1.868 8.547 -5.356 1.00 0.00 H new ATOM 0 H2'' DA B 10 -3.424 8.592 -4.550 1.00 0.00 H new ATOM 0 H1' DA B 10 -4.561 7.650 -6.361 1.00 0.00 H new ATOM 0 H8 DA B 10 -0.762 7.089 -6.835 1.00 0.00 H new ATOM 0 H61 DA B 10 -2.224 1.197 -7.657 1.00 0.00 H new ATOM 0 H62 DA B 10 -0.964 2.435 -7.669 1.00 0.00 H new ATOM 0 H2 DA B 10 -6.051 3.395 -6.622 1.00 0.00 H new ATOM 315 P DT B 11 -4.370 11.410 -4.040 1.00 0.00 P ATOM 316 OP1 DT B 11 -5.430 12.440 -4.010 1.00 0.00 O ATOM 317 OP2 DT B 11 -2.990 11.790 -3.650 1.00 0.00 O ATOM 318 O5' DT B 11 -4.810 10.150 -3.140 1.00 0.00 O ATOM 319 C5' DT B 11 -6.150 9.640 -3.220 1.00 0.00 C ATOM 320 C4' DT B 11 -6.250 8.290 -2.530 1.00 0.00 C ATOM 321 O4' DT B 11 -5.380 7.330 -3.170 1.00 0.00 O ATOM 322 C3' DT B 11 -5.840 8.380 -1.070 1.00 0.00 C ATOM 323 O3' DT B 11 -7.010 8.180 -0.260 1.00 0.00 O ATOM 324 C2' DT B 11 -4.800 7.280 -0.900 1.00 0.00 C ATOM 325 C1' DT B 11 -5.000 6.410 -2.130 1.00 0.00 C ATOM 326 N1 DT B 11 -3.760 5.710 -2.560 1.00 0.00 N ATOM 327 C2 DT B 11 -3.800 4.340 -2.860 1.00 0.00 C ATOM 328 O2 DT B 11 -4.790 3.650 -2.630 1.00 0.00 O ATOM 329 N3 DT B 11 -2.660 3.720 -3.380 1.00 0.00 N ATOM 330 C4 DT B 11 -1.490 4.430 -3.610 1.00 0.00 C ATOM 331 O4 DT B 11 -0.510 3.840 -4.070 1.00 0.00 O ATOM 332 C5 DT B 11 -1.450 5.790 -3.320 1.00 0.00 C ATOM 333 C7 DT B 11 -0.240 6.670 -3.650 1.00 0.00 C ATOM 334 C6 DT B 11 -2.570 6.410 -2.790 1.00 0.00 C ATOM 0 H5' DT B 11 -6.446 9.544 -4.264 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.841 10.344 -2.756 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.291 7.975 -2.601 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.421 9.341 -0.772 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.790 7.686 -0.856 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.958 6.717 0.020 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.735 5.633 -1.918 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.689 2.723 -3.595 1.00 0.00 H new ATOM 0 H71 DT B 11 -0.574 7.689 -3.846 1.00 0.00 H new ATOM 0 H72 DT B 11 0.450 6.670 -2.807 1.00 0.00 H new ATOM 0 H73 DT B 11 0.265 6.278 -4.532 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.524 7.461 -2.548 1.00 0.00 H new ATOM 347 P DG B 12 -7.000 7.990 1.350 1.00 0.00 P ATOM 348 OP1 DG B 12 -8.310 8.410 1.870 1.00 0.00 O ATOM 349 OP2 DG B 12 -5.770 8.590 1.920 1.00 0.00 O ATOM 350 O5' DG B 12 -6.870 6.390 1.450 1.00 0.00 O ATOM 351 C5' DG B 12 -7.920 5.560 0.910 1.00 0.00 C ATOM 352 C4' DG B 12 -7.570 4.090 0.990 1.00 0.00 C ATOM 353 O4' DG B 12 -6.330 3.850 0.290 1.00 0.00 O ATOM 354 C3' DG B 12 -7.380 3.620 2.420 1.00 0.00 C ATOM 355 O3' DG B 12 -8.220 2.480 2.640 1.00 0.00 O ATOM 356 C2' DG B 12 -5.900 3.340 2.530 1.00 0.00 C ATOM 357 C1' DG B 12 -5.560 2.940 1.110 1.00 0.00 C ATOM 358 N9 DG B 12 -4.120 3.100 0.780 1.00 0.00 N ATOM 359 C8 DG B 12 -3.380 4.200 0.870 1.00 0.00 C ATOM 360 N7 DG B 12 -2.190 4.000 0.310 1.00 0.00 N ATOM 361 C5 DG B 12 -2.170 2.750 -0.130 1.00 0.00 C ATOM 362 C6 DG B 12 -1.180 1.980 -0.720 1.00 0.00 C ATOM 363 O6 DG B 12 -0.110 2.480 -1.070 1.00 0.00 O ATOM 364 N1 DG B 12 -1.440 0.640 -0.970 1.00 0.00 N ATOM 365 C2 DG B 12 -2.690 0.100 -0.640 1.00 0.00 C ATOM 366 N2 DG B 12 -2.910 -1.200 -0.790 1.00 0.00 N ATOM 367 N3 DG B 12 -3.630 0.880 -0.090 1.00 0.00 N ATOM 368 C4 DG B 12 -3.390 2.170 0.170 1.00 0.00 C ATOM 0 H5' DG B 12 -8.102 5.834 -0.129 1.00 0.00 H new ATOM 0 H5'' DG B 12 -8.846 5.744 1.455 1.00 0.00 H new ATOM 0 H4' DG B 12 -8.400 3.543 0.543 1.00 0.00 H new ATOM 0 H3' DG B 12 -7.668 4.339 3.187 1.00 0.00 H new ATOM 0 H2' DG B 12 -5.340 4.217 2.854 1.00 0.00 H new ATOM 0 H2'' DG B 12 -5.685 2.544 3.243 1.00 0.00 H new ATOM 0 H1' DG B 12 -5.784 1.885 0.953 1.00 0.00 H new ATOM 0 H8 DG B 12 -3.699 5.123 1.331 1.00 0.00 H new ATOM 0 H1 DG B 12 -0.723 0.050 -1.393 1.00 0.00 H new ATOM 0 H21 DG B 12 -3.820 -1.594 -0.550 1.00 0.00 H new ATOM 0 H22 DG B 12 -2.169 -1.805 -1.145 1.00 0.00 H new ATOM 380 P DC B 13 -8.210 1.560 3.970 1.00 0.00 P ATOM 381 OP1 DC B 13 -9.560 0.990 4.150 1.00 0.00 O ATOM 382 OP2 DC B 13 -7.590 2.290 5.090 1.00 0.00 O ATOM 383 O5' DC B 13 -7.200 0.390 3.510 1.00 0.00 O ATOM 384 C5' DC B 13 -7.570 -0.520 2.460 1.00 0.00 C ATOM 385 C4' DC B 13 -6.520 -1.590 2.270 1.00 0.00 C ATOM 386 O4' DC B 13 -5.250 -0.990 1.930 1.00 0.00 O ATOM 387 C3' DC B 13 -6.310 -2.400 3.540 1.00 0.00 C ATOM 388 O3' DC B 13 -6.450 -3.790 3.230 1.00 0.00 O ATOM 389 C2' DC B 13 -4.930 -2.020 4.010 1.00 0.00 C ATOM 390 C1' DC B 13 -4.240 -1.640 2.720 1.00 0.00 C ATOM 391 N1 DC B 13 -3.130 -0.670 2.940 1.00 0.00 N ATOM 392 C2 DC B 13 -1.870 -0.900 2.370 1.00 0.00 C ATOM 393 O2 DC B 13 -1.560 -2.020 1.960 1.00 0.00 O ATOM 394 N3 DC B 13 -0.940 0.060 2.420 1.00 0.00 N ATOM 395 C4 DC B 13 -1.150 1.240 3.000 1.00 0.00 C ATOM 396 N4 DC B 13 -0.230 2.190 2.910 1.00 0.00 N ATOM 397 C5 DC B 13 -2.360 1.510 3.620 1.00 0.00 C ATOM 398 C6 DC B 13 -3.360 0.550 3.590 1.00 0.00 C ATOM 0 H5' DC B 13 -7.705 0.030 1.529 1.00 0.00 H new ATOM 0 H5'' DC B 13 -8.527 -0.984 2.698 1.00 0.00 H new ATOM 0 H4' DC B 13 -6.875 -2.241 1.471 1.00 0.00 H new ATOM 0 H3' DC B 13 -7.035 -2.201 4.329 1.00 0.00 H new ATOM 0 H2' DC B 13 -4.956 -1.190 4.716 1.00 0.00 H new ATOM 0 H2'' DC B 13 -4.429 -2.849 4.510 1.00 0.00 H new ATOM 0 H1' DC B 13 -3.810 -2.525 2.251 1.00 0.00 H new ATOM 0 H41 DC B 13 -0.387 3.095 3.353 1.00 0.00 H new ATOM 0 H42 DC B 13 0.635 2.016 2.398 1.00 0.00 H new ATOM 0 H5 DC B 13 -2.521 2.454 4.119 1.00 0.00 H new ATOM 0 H6 DC B 13 -4.311 0.741 4.065 1.00 0.00 H new ATOM 410 P DA B 14 -6.150 -5.000 4.260 1.00 0.00 P ATOM 411 OP1 DA B 14 -6.980 -6.160 3.870 1.00 0.00 O ATOM 412 OP2 DA B 14 -6.250 -4.500 5.650 1.00 0.00 O ATOM 413 O5' DA B 14 -4.600 -5.310 3.940 1.00 0.00 O ATOM 414 C5' DA B 14 -4.240 -5.820 2.650 1.00 0.00 C ATOM 415 C4' DA B 14 -2.760 -6.170 2.560 1.00 0.00 C ATOM 416 O4' DA B 14 -1.950 -5.000 2.790 1.00 0.00 O ATOM 417 C3' DA B 14 -2.360 -7.190 3.620 1.00 0.00 C ATOM 418 O3' DA B 14 -1.600 -8.240 2.990 1.00 0.00 O ATOM 419 C2' DA B 14 -1.550 -6.400 4.620 1.00 0.00 C ATOM 420 C1' DA B 14 -0.910 -5.360 3.720 1.00 0.00 C ATOM 421 N9 DA B 14 -0.500 -4.130 4.450 1.00 0.00 N ATOM 422 C8 DA B 14 -1.310 -3.280 5.070 1.00 0.00 C ATOM 423 N7 DA B 14 -0.710 -2.110 5.240 1.00 0.00 N ATOM 424 C5 DA B 14 0.520 -2.230 4.750 1.00 0.00 C ATOM 425 C6 DA B 14 1.600 -1.360 4.680 1.00 0.00 C ATOM 426 N6 DA B 14 1.450 -0.080 5.020 1.00 0.00 N ATOM 427 N1 DA B 14 2.760 -1.810 4.190 1.00 0.00 N ATOM 428 C2 DA B 14 2.860 -3.060 3.760 1.00 0.00 C ATOM 429 N3 DA B 14 1.860 -3.910 3.790 1.00 0.00 N ATOM 430 C4 DA B 14 0.670 -3.520 4.280 1.00 0.00 C ATOM 0 H5' DA B 14 -4.483 -5.079 1.888 1.00 0.00 H new ATOM 0 H5'' DA B 14 -4.835 -6.707 2.433 1.00 0.00 H new ATOM 0 H4' DA B 14 -2.599 -6.577 1.562 1.00 0.00 H new ATOM 0 H3' DA B 14 -3.201 -7.677 4.114 1.00 0.00 H new ATOM 0 H2' DA B 14 -2.174 -5.949 5.392 1.00 0.00 H new ATOM 0 H2'' DA B 14 -0.809 -7.016 5.129 1.00 0.00 H new ATOM 0 H1' DA B 14 -0.007 -5.767 3.264 1.00 0.00 H new ATOM 0 H8 DA B 14 -2.316 -3.509 5.391 1.00 0.00 H new ATOM 0 H61 DA B 14 2.244 0.558 4.968 1.00 0.00 H new ATOM 0 H62 DA B 14 0.541 0.262 5.332 1.00 0.00 H new ATOM 0 H2 DA B 14 3.808 -3.395 3.367 1.00 0.00 H new ATOM 442 P DT B 15 -1.240 -9.620 3.730 1.00 0.00 P ATOM 443 OP1 DT B 15 -1.000 -10.660 2.690 1.00 0.00 O ATOM 444 OP2 DT B 15 -2.230 -9.890 4.790 1.00 0.00 O ATOM 445 O5' DT B 15 0.160 -9.240 4.440 1.00 0.00 O ATOM 446 C5' DT B 15 1.370 -9.170 3.670 1.00 0.00 C ATOM 447 C4' DT B 15 2.470 -8.520 4.490 1.00 0.00 C ATOM 448 O4' DT B 15 2.150 -7.170 4.870 1.00 0.00 O ATOM 449 C3' DT B 15 2.740 -9.280 5.780 1.00 0.00 C ATOM 450 O3' DT B 15 3.950 -10.050 5.620 1.00 0.00 O ATOM 451 C2' DT B 15 2.880 -8.200 6.830 1.00 0.00 C ATOM 452 C1' DT B 15 2.980 -6.930 6.010 1.00 0.00 C ATOM 453 N1 DT B 15 2.510 -5.710 6.730 1.00 0.00 N ATOM 454 C2 DT B 15 3.330 -4.580 6.790 1.00 0.00 C ATOM 455 O2 DT B 15 4.510 -4.610 6.450 1.00 0.00 O ATOM 456 N3 DT B 15 2.820 -3.400 7.330 1.00 0.00 N ATOM 457 C4 DT B 15 1.520 -3.330 7.830 1.00 0.00 C ATOM 458 O4 DT B 15 1.090 -2.250 8.230 1.00 0.00 O ATOM 459 C5 DT B 15 0.720 -4.460 7.800 1.00 0.00 C ATOM 460 C7 DT B 15 -0.670 -4.500 8.440 1.00 0.00 C ATOM 461 C6 DT B 15 1.200 -5.640 7.240 1.00 0.00 C ATOM 0 H5' DT B 15 1.198 -8.598 2.758 1.00 0.00 H new ATOM 0 H5'' DT B 15 1.675 -10.171 3.365 1.00 0.00 H new ATOM 0 H4' DT B 15 3.345 -8.532 3.840 1.00 0.00 H new ATOM 0 H3' DT B 15 1.957 -9.987 6.055 1.00 0.00 H new ATOM 0 H2' DT B 15 2.022 -8.179 7.502 1.00 0.00 H new ATOM 0 H2'' DT B 15 3.765 -8.351 7.448 1.00 0.00 H new ATOM 0 H1' DT B 15 4.022 -6.725 5.764 1.00 0.00 H new ATOM 0 H3 DT B 15 3.411 -2.569 7.360 1.00 0.00 H new ATOM 0 H71 DT B 15 -1.304 -5.196 7.891 1.00 0.00 H new ATOM 0 H72 DT B 15 -0.584 -4.828 9.476 1.00 0.00 H new ATOM 0 H73 DT B 15 -1.113 -3.505 8.410 1.00 0.00 H new ATOM 0 H6 DT B 15 0.562 -6.510 7.196 1.00 0.00 H new ATOM 474 P DG B 16 4.600 -10.960 6.790 1.00 0.00 P ATOM 475 OP1 DG B 16 5.460 -11.980 6.150 1.00 0.00 O ATOM 476 OP2 DG B 16 3.550 -11.400 7.730 1.00 0.00 O ATOM 477 O5' DG B 16 5.530 -9.880 7.540 1.00 0.00 O ATOM 478 C5' DG B 16 6.670 -9.320 6.880 1.00 0.00 C ATOM 479 C4' DG B 16 7.250 -8.150 7.660 1.00 0.00 C ATOM 480 O4' DG B 16 6.220 -7.150 7.830 1.00 0.00 O ATOM 481 C3' DG B 16 7.710 -8.560 9.050 1.00 0.00 C ATOM 482 O3' DG B 16 9.040 -8.080 9.320 1.00 0.00 O ATOM 483 C2' DG B 16 6.760 -7.850 9.990 1.00 0.00 C ATOM 484 C1' DG B 16 6.420 -6.640 9.160 1.00 0.00 C ATOM 485 N9 DG B 16 5.230 -5.900 9.630 1.00 0.00 N ATOM 486 C8 DG B 16 3.990 -6.350 9.850 1.00 0.00 C ATOM 487 N7 DG B 16 3.200 -5.350 10.210 1.00 0.00 N ATOM 488 C5 DG B 16 3.950 -4.250 10.240 1.00 0.00 C ATOM 489 C6 DG B 16 3.680 -2.930 10.570 1.00 0.00 C ATOM 490 O6 DG B 16 2.530 -2.590 10.850 1.00 0.00 O ATOM 491 N1 DG B 16 4.720 -2.010 10.520 1.00 0.00 N ATOM 492 C2 DG B 16 6.000 -2.420 10.140 1.00 0.00 C ATOM 493 N2 DG B 16 7.000 -1.550 10.090 1.00 0.00 N ATOM 494 N3 DG B 16 6.220 -3.690 9.830 1.00 0.00 N ATOM 495 C4 DG B 16 5.240 -4.600 9.870 1.00 0.00 C ATOM 0 H5' DG B 16 6.386 -8.987 5.882 1.00 0.00 H new ATOM 0 H5'' DG B 16 7.433 -10.089 6.755 1.00 0.00 H new ATOM 0 H4' DG B 16 8.106 -7.775 7.099 1.00 0.00 H new ATOM 0 H3' DG B 16 7.716 -9.645 9.157 1.00 0.00 H new ATOM 0 H2' DG B 16 5.883 -8.452 10.227 1.00 0.00 H new ATOM 0 H2'' DG B 16 7.231 -7.586 10.937 1.00 0.00 H new ATOM 0 HO3' DG B 16 9.311 -8.356 10.221 1.00 0.00 H new ATOM 0 H1' DG B 16 7.223 -5.905 9.222 1.00 0.00 H new ATOM 0 H8 DG B 16 3.678 -7.379 9.749 1.00 0.00 H new ATOM 0 H1 DG B 16 4.549 -1.034 10.761 1.00 0.00 H new ATOM 0 H21 DG B 16 7.931 -1.859 9.811 1.00 0.00 H new ATOM 0 H22 DG B 16 6.838 -0.572 10.330 1.00 0.00 H new TER 508 DG B 16 END